[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O2/c23-19-6-8-21(9-7-19)29-15-14-25-10-12-26(13-11-25)22(28)18-16-24-27(17-18)20-4-2-1-3-5-20/h1-9,16-17H,10-15H2/p+1